My standard response to the feff9 question:
http://bruceravel.github.io/SCFtests/scf.html
B
On 06/15/2017 02:55 AM, 이국승(에너지환경소재연구팀) wrote:
Dear Ifeffit users,
I remember that one of you have posted the method how we can use
FEFF8/FEFF9 in Demeter program.
But I cannot find the posting
Felix,
When you fit your EXAFS data using Artemis + Ifeffit or Larch, you are
using a Levenberg-Marquardt non-llinear, steepest descent algorithm. The
fit does kn ow anything /at all/ about what you are trying to do. It
doesn't know what a sensible value for sigma^2 or any other parameter
Dear Robert and users,
Thank you for your quick reply and the address for mail archive.
But I still cannot find the posting for all day long.
Now I want to bear shame to ask a favor to send the posting.
Thank you very much in advance!
Best,
Kug-Seung Lee
Kug-Seung Lee, Ph.D.
Staff
I am very sorry, in the second paragraph the sequence describing what I
want to do could have been clearer:
I want to 1. start a fit with certain parameters, 2. save the log file,
3. change one parameter. This should be repeated many (120 for now) times.
Felix
On 16/06/2017 18:39, Felix E.
Dear Ifeffit mailing-list,
first of all sorry for writing another mail to the list in such a short
time span, I hope people will not get sick of me too quickly.
I want to do many fits for the same data with varying start-parameters.
More specifically, I am doing fits to EXAFS data of the Pt
Dear all,
I have the following problem:
In some fits using Artemis (Demeter 0.9.25) I will get negative values
for parameters where it makes no sense at all.
For example, when trying to fit two first shell paths, Pt-Pt and Pt-O,
for a Pt nanoparticle,
sigma^2 for the Pt-O path becomes
